N-methyl-1-(oxolan-3-yl)butan-1-amine

C9H19NO — CID 63564558

IUPACN-methyl-1-(oxolan-3-yl)butan-1-amine
SMILESCCCC(NC)C1CCOC1
InChIInChI=1S/C9H19NO/c1-3-4-9(10-2)8-5-6-11-7-8/h8-10H,3-7H2,1-2H3
InChIKeyLLGKFIQGZBMOSP-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About N-methyl-1-(oxolan-3-yl)butan-1-amine

N-methyl-1-(oxolan-3-yl)butan-1-amine (PubChem CID 63564558) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)butan-1-amine
PubChem CID63564558
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-1-(oxolan-3-yl)butan-1-amine
SMILESCCCC(NC)C1CCOC1
InChIInChI=1S/C9H19NO/c1-3-4-9(10-2)8-5-6-11-7-8/h8-10H,3-7H2,1-2H3
InChIKeyLLGKFIQGZBMOSP-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)butan-1-amine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)butan-1-amine (CID 63564558) is N-methyl-1-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)butan-1-amine is CCCC(NC)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)butan-1-amine?
The InChIKey is LLGKFIQGZBMOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-9(10-2)8-5-6-11-7-8/h8-10H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)butan-1-amine?
N-methyl-1-(oxolan-3-yl)butan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 63564558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).